(2S)-1-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]piperidin-1-ium-2-carboxamide Formula: C17H26N3O5+ MolecularWeight: 352.40544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCCCC2C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCCC[C@H]2C(=O)N

InChI

InChI=1S/C17H25N3O5/c1-23-13-8-11(9-14(24-2)16(13)25-3)19-15(21)10-20-7-5-4-6-12(20)17(18)22/h8-9,12H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/p+1/t12-/m0/s1